邻乙酰氨基苯甲酸

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

邻乙酰氨基苯甲酸 基本信息

中文名称:
邻乙酰氨基苯甲酸 
中文别名:
邻乙酰氨基苯甲酸;
鄰乙醯胺苯甲酸;
N-丙基胺基苯甲酸;
2-乙酸胺基苯甲酸 
英文名称:
Benzoic acid,2-(acetylamino)-
英文别名:
2-acetamidobenzoic acid;
Anthranilic acid,N-acetyl;
o-acetylaminobenzoic acid;
N-(acetyl)anthranilic acid;
o-Acetoaminobenozic acid;
o-(N-acetyl)aminobenzoic acid;
o-Acetamidobenzoic acid;
2-Carboxyacetanilide;
Benzoic acid,2-(acetylamino);
2-acetylaminobenzoic acid;
Acetylanthranilic acid 
CAS No.:
89-52-1
分 子 式:

C9H9NO3

分 子 量:
179.17
精确分子量:
179.05800
PSA:
66.40000
MDL:
MFCD00002423
EINECS:
201-914-4
BRN:
880371
InChI:
InChI=1/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)/p-1
危险品标志:

Xn:Harmful
 

风险术语:

R22;

安全术语:

S26;S37/39

分子结构式:
SDS:
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邻乙酰氨基苯甲酸 制备方法及用途

制备方法

以邻氨基苯甲酸为原料,经乙酰化而得。

合成制备方法

以邻氨基苯甲酸为原料,经乙酰化而得。

用途简介

1.有机合成,为医药中间体,用于生产非巴比妥类催眠药安眠酮。

用途

1.有机合成,为医药中间体,用于生产非巴比妥类催眠药安眠酮。

邻乙酰氨基苯甲酸 物化性质

外观与性状:
略米色固体
密度:
1.326 g/cm3
熔点:
184-187 °C(lit.)
沸点:
422.8ºC at 760 mmHg
闪点:
209.5ºC
水溶解性:
slightly soluble
存储条件/存储方法:
库房通风低温干燥
稳定性相关:

1.常温常压下稳定,与强氧化剂,;强酸,强碱,强还原剂反应。

其它信息:

1.       性状:针状结晶。

2.       密度(g/mL,25/4℃): 未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):185

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

  19.   溶解性:易溶于乙醚、苯、丙酮、热水、热乙酸和热乙醇,微溶于水,易被稀酸水解。

邻乙酰氨基苯甲酸 安全信息

海关代码:
2924299090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S36-S37/39-S26
RTECS号:
CB2455000
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
:
危险标志:
Xi:Irritant;

邻乙酰氨基苯甲酸 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CB2455000
CHEMICAL NAME :
Anthranilic acid, N-acetyl-
CAS REGISTRY NUMBER :
89-52-1
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H9-N-O3
MOLECULAR WEIGHT :
179.19

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1114 mg/kg
TOXIC EFFECTS :
Behavioral - analgesia
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 38,847,1983
毒理学数据:

1、   急性毒性:小鼠经口LD50:1114mg/kg;

邻乙酰氨基苯甲酸 MSDS

Name: N-Acetylanthranilic acid 99% Material Safety Data Sheet
Synonym: 2-Acetamidobenzoic acid; 2-(acetylamino)benzoic acid
CAS: 89-52-1
Section 1 - Chemical Product   MSDS Name:N-Acetylanthranilic acid 99% Material Safety Data Sheet
Synonym:2-Acetamidobenzoic acid; 2-(acetylamino)benzoic acid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
89-52-1 N-Acetylanthranilic acid 99 201-914-4
Hazard Symbols: XN
Risk Phrases: 22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
May cause respiratory tract irritation.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid breathing dust.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 89-52-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: slightly beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 184.5-187 deg C
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: slightly soluble
Specific Gravity/Density:
Molecular Formula: 2-(CH3CONH)C6H4CO2H
Molecular Weight: 179.17

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents; strong acids; strong bases; strong reducing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 89-52-1: CB2455000 LD50/LC50:
CAS# 89-52-1: Oral, mouse: LD50 = 1114 mg/kg.
Carcinogenicity:
N-Acetylanthranilic acid - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 89-52-1: No information available.
Canada
CAS# 89-52-1 is listed on Canada's NDSL List.
CAS# 89-52-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 89-52-1 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

邻乙酰氨基苯甲酸 海关数据

中国海关编码:2924299090

概述:
2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 包装
摘要/Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

邻乙酰氨基苯甲酸 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:47.45

2、摩尔体积(cm3/mol):135.0

3、等张比容(90.2K):373.1

4、表面张力(dyne/cm):58.2

5、极化率(10-24cm3):18.81

 

 

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:2

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:9

6.拓扑分子极性表面积66.4

7.重原子数量:13

8.表面电荷:0

9.复杂度:215

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

邻乙酰氨基苯甲酸 上游产品

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